2-ethylsulfinyl-N-[3-[(3-fluorophenoxy)methyl]phenyl]benzamide

C22H20FNO3S — CID 112821396

IUPAC2-ethylsulfinyl-N-[3-[(3-fluorophenoxy)methyl]phenyl]benzamide
SMILESCCS(=O)c1ccccc1C(=O)Nc1cccc(COc2cccc(F)c2)c1
InChIInChI=1S/C22H20FNO3S/c1-2-28(26)21-12-4-3-11-20(21)22(25)24-18-9-5-7-16(13-18)15-27-19-10-6-8-17(23)14-19/h3-14H,2,15H2,1H3,(H,24,25)
InChIKeyRTPKKGMDIGEQAH-UHFFFAOYSA-N
MW397.47 g/mol
LogP4.78
Rot. Bonds7

About 2-ethylsulfinyl-N-[3-[(3-fluorophenoxy)methyl]phenyl]benzamide

2-ethylsulfinyl-N-[3-[(3-fluorophenoxy)methyl]phenyl]benzamide (PubChem CID 112821396) has the molecular formula C22H20FNO3S and a molecular weight of 397.47 g/mol. Its IUPAC name is 2-ethylsulfinyl-N-[3-[(3-fluorophenoxy)methyl]phenyl]benzamide.

Molecular Properties

Compound Name2-ethylsulfinyl-N-[3-[(3-fluorophenoxy)methyl]phenyl]benzamide
PubChem CID112821396
Molecular FormulaC22H20FNO3S
Molecular Weight397.47 g/mol
Exact Mass397.11
IUPAC Name2-ethylsulfinyl-N-[3-[(3-fluorophenoxy)methyl]phenyl]benzamide
SMILESCCS(=O)c1ccccc1C(=O)Nc1cccc(COc2cccc(F)c2)c1
InChIInChI=1S/C22H20FNO3S/c1-2-28(26)21-12-4-3-11-20(21)22(25)24-18-9-5-7-16(13-18)15-27-19-10-6-8-17(23)14-19/h3-14H,2,15H2,1H3,(H,24,25)
InChIKeyRTPKKGMDIGEQAH-UHFFFAOYSA-N
XLogP4.78
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.47
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[(3-fluorophenoxy)methyl]phenyl]-2-methylsulfanylpyridine-3-carboxamide
CID 38614359
2-ethoxy-N-[2-[3-[(3-fluorophenoxy)methyl]anilino]-2-oxoethyl]benzamide
CID 38613975
N-(3-fluorophenyl)-2,4-bis(phenylmethoxy)benzamide
CID 69250543
2-ethylsulfinyl-N-[3-[(3-fluorobenzoyl)amino]-4-methoxyphenyl]benzamide
CID 112827439
2,5-bis[(3-fluorophenyl)methoxy]-N-phenylbenzamide
CID 141216434
3-amino-N-[3-[(3-fluorophenoxy)methyl]phenyl]pyrazine-2-carboxamide
CID 38613495
N-[3-[(3-fluorophenoxy)methyl]phenyl]-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide
CID 56563395
N-[3-[(3-fluorophenoxy)methyl]phenyl]-2-(2-phenoxyethoxy)acetamide
CID 55761188
methyl 2-[4-[[3-[(3-fluorophenoxy)methyl]phenyl]carbamoyl]-2-methoxyphenoxy]acetate
CID 55778127
1-[3-[(3-fluorophenoxy)methyl]phenyl]-3-(4-hydroxy-3-methylbutan-2-yl)urea
CID 111453032
2-chloro-N-[1-[3-[(3-fluorophenoxy)methyl]anilino]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide
CID 55654046
N-[3-[(3-fluorophenoxy)methyl]phenyl]-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide
CID 38613381

Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfinyl-N-[3-[(3-fluorophenoxy)methyl]phenyl]benzamide?
The IUPAC name of 2-ethylsulfinyl-N-[3-[(3-fluorophenoxy)methyl]phenyl]benzamide (CID 112821396) is 2-ethylsulfinyl-N-[3-[(3-fluorophenoxy)methyl]phenyl]benzamide.
What is the SMILES notation for 2-ethylsulfinyl-N-[3-[(3-fluorophenoxy)methyl]phenyl]benzamide?
The canonical SMILES for 2-ethylsulfinyl-N-[3-[(3-fluorophenoxy)methyl]phenyl]benzamide is CCS(=O)c1ccccc1C(=O)Nc1cccc(COc2cccc(F)c2)c1.
What is the InChIKey of 2-ethylsulfinyl-N-[3-[(3-fluorophenoxy)methyl]phenyl]benzamide?
The InChIKey is RTPKKGMDIGEQAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FNO3S/c1-2-28(26)21-12-4-3-11-20(21)22(25)24-18-9-5-7-16(13-18)15-27-19-10-6-8-17(23)14-19/h3-14H,2,15H2,1H3,(H,24,25).
What are the key properties of 2-ethylsulfinyl-N-[3-[(3-fluorophenoxy)methyl]phenyl]benzamide?
2-ethylsulfinyl-N-[3-[(3-fluorophenoxy)methyl]phenyl]benzamide has a molecular weight of 397.47 g/mol, XLogP of 4.78, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfinyl-N-[3-[(3-fluorophenoxy)methyl]phenyl]benzamide is sourced from PubChem (CID 112821396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).